(2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane

C7H9IO — CID 146510629

IUPAC(2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane
SMILESC#C[C@H]1C[C@H](I)[C@@H](C)O1
InChIInChI=1S/C7H9IO/c1-3-6-4-7(8)5(2)9-6/h1,5-7H,4H2,2H3/t5-,6+,7+/m1/s1
InChIKeyQPINEYUZSJFQBR-VQVTYTSYSA-N
MW236.05 g/mol
LogP1.60
Rot. Bonds

About (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane

(2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane (PubChem CID 146510629) has the molecular formula C7H9IO and a molecular weight of 236.05 g/mol. Its IUPAC name is (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane.

Molecular Properties

Compound Name(2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane
PubChem CID146510629
Molecular FormulaC7H9IO
Molecular Weight236.05 g/mol
Exact Mass235.97
IUPAC Name(2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane
SMILESC#C[C@H]1C[C@H](I)[C@@H](C)O1
InChIInChI=1S/C7H9IO/c1-3-6-4-7(8)5(2)9-6/h1,5-7H,4H2,2H3/t5-,6+,7+/m1/s1
InChIKeyQPINEYUZSJFQBR-VQVTYTSYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-but-3-enyl-3-iodo-2-methyloxolane;methane
CID 144952754
5-ethynyl-3-methyloxathiolane 2,2-dioxide
CID 89445891
6-ethynyl-4-methyloxan-2-one
CID 89442177
2-iodo-4,6-dimethyl-1,3-dioxane
CID 129213139
5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide
CID 89445824
3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane
CID 167699446
2,6-diethyl-4-ethynyloxane
CID 174183967
5-iodo-4-methyl-1,3-dioxane
CID 151448925
5-iodo-2,6-dimethyloxane-3,4-diol
CID 59426747
(2R,3S,5R)-5-ethynyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11484097
(4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]
CID 102409270
[(2R,3S,4R)-6-ethynyl-3-hydroxy-2-pentanoyloxyoxan-4-yl] pentanoate
CID 139473454

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane?
The IUPAC name of (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane (CID 146510629) is (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane.
What is the SMILES notation for (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane?
The canonical SMILES for (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane is C#C[C@H]1C[C@H](I)[C@@H](C)O1.
What is the InChIKey of (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane?
The InChIKey is QPINEYUZSJFQBR-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H9IO/c1-3-6-4-7(8)5(2)9-6/h1,5-7H,4H2,2H3/t5-,6+,7+/m1/s1.
What are the key properties of (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane?
(2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane has a molecular weight of 236.05 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-ethynyl-3-iodo-2-methyloxolane is sourced from PubChem (CID 146510629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).